Geometry & MOs

Info

ID:	33606
PubChem CID:	7887157
Reduced:	OS2N3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	363.053376
ΔH_f, kcal/mol:	41.12
Dipole, Da:	2.24
IP(EA), eV:	-8.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(1S)-1-thiophen-2-ylethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@@H](C)C(=O)C3=CNC4=CC=CC=C43)C

DOS

IR

Vibrations